6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]hexanamide

Systemtic Name: 6-(8-methoxy-4-oxidanylidene-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]hexanamide Openeye Name: 6-(8-methoxy-4-oxo-2-thioxo-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]hexanamide CAS Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]hexanamide IUPAC Name: 6-(8-methoxy-4-oxo-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-3-yl)-N-[(4-methoxyphenyl)methyl]hexanamide Traditional Name: 6-(4-keto-8-methoxy-2-thioxo-1,5-dihydropyrimid[5,4-b]indol-3-yl)-N-p-anisyl-hexanamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=C(C4=C(N3)C=CC(=C4)OC)NC2=S

InChI

InChI=1S/C25H28N4O4S/c1-32-17-9-7-16(8-10-17)15-26-21(30)6-4-3-5-13-29-24(31)23-22(28-25(29)34)19-14-18(33-2)11-12-20(19)27-23/h7-12,14,27H,3-6,13,15H2,1-2H3,(H,26,30)(H,28,34)